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CAS Number: 693-89-0
SMILES : C(CC1)=C(C1)C
CHEM : CYCLOPENTENE, 1-METHYL-
MOL FOR: C6 H10
MOL WT : 82.15
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 3.02
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 88.59 (Adapted Stein & Brown method)
Melting Pt (deg C): -74.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 115 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.54E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -126.5 deg C
BP (exp database): 75.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 99.82
log Kow used: 3.02 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 185.52 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.82E-002 atm-m3/mole (7.92E+003 Pa-m3/mole)
Group Method: 5.35E-002 atm-m3/mole (5.42E+003 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.245E-001 atm-m3/mole (1.262E+004 Pa-m3/mole)
VP: 115 mm Hg (source: MPBPVP)
WS: 99.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.02 (KowWin est)
Log Kaw used: 0.505 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.515
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7084
Biowin2 (Non-Linear Model) : 0.8632
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0176 (weeks )
Biowin4 (Primary Survey Model) : 3.7292 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5335
Biowin6 (MITI Non-Linear Model): 0.7133
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3229
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.6526
BioHC Half-Life (days) : 4.4931
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.49E+004 Pa (112 mm Hg)
Log Koa (Koawin est ): 2.515
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E-010
Octanol/air (Koa) model: 8.04E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.26E-009
Mackay model : 1.61E-008
Octanol/air (Koa) model: 6.43E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 89.4108 E-12 cm3/molecule-sec
Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.436 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1.17E-008 (Junge-Pankow, Mackay avg)
6.43E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 128.3 L/kg (MCI method)
Log Koc: 2.108 (MCI method)
Koc : 417.5 L/kg (Kow method)
Log Koc: 2.621 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.657 (BCF = 45.44 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1878 days (HL = 0.6489 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.892 (BCF = 77.97)
Log BAF Arnot-Gobas method (upper trophic) = 1.892 (BAF = 77.97)
log Kow used: 3.02 (estimated)
Volatilization from Water:
Henry LC: 0.0782 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.9317 hours (55.90 min)
Half-Life from Model Lake : 86.16 hours (3.59 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 96.85 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 2.72 percent
Total to Air: 94.10 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.916 0.523 1000
Water 92.2 360 1000
Soil 6.21 720 1000
Sediment 0.638 3.24e+003 0
Persistence Time: 66.8 hr